Glycoside
GD157999
Name:
3,6,9-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dioneFormula:
C21H28O9Smiles:
CC1=CC(=O)C2=C(C)C(OC3OC(CO)C(O)C(O)C3O)CC3C(C)C(=O)OC3C12Aglycone:
CC1=CC(=O)C2=C(C)C(O)CC3C(C)C(=O)OC3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53289
Formula: C15H18O4
Smiles:
CC1=CC(=O)C2=C(C)C(O)CC3C(C)C(=O)OC3C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
